Basic information
- CAS
67939-30-4- Standard SMILES
Clc1cc(Br)c2c(c1Br)-c1nc-2nc2nc(nc3[n-]c(nc4[n-]c(n1)c1c(Br)c(Cl)c(Br)c(Br)c41)c1c(Cl)c(Br)c(Br)c(Cl)c31)-c1c(Cl)cc(Br)c(Br)c1-2.[Cu+2]- InChIKey
DITYRYQSNPEJMJ-UHFFFAOYSA-N- Molecular formula
- C32H2Br9Cl5CuN8
- Average molar mass
- 1,458.3 g/mol
- Monoisotopic mass
- 1,446.07914
Names & identifiers
- Preferred name
- Copper, (C,C,C,C,C,C,C,C,C-nonabromo-C,C,C,C,C-pentachloro-29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-
- IUPAC
- copper 6,7,14,15,17,23,26,32,33-nonabromo-5,8,16,24,35-pentachloro-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22,24,26,28(38),29,31(36),32,34-nonadecaene
Names & synonyms
EINECS 267-832-6Copper, (C,C,C,C,C,C,C,C,C-nonabromo-C,C,C,C,C-pentachloro-29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-Copper, (nonabromopentachloro-29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-RefChem:579022Copper, [C,C,C,C,C,C,C,C,C-nonabromo-C,C,C,C,C-pentachloro-29H,31H-phthalocyaninato(2-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-67939-30-4DTXSID20987329DITYRYQSNPEJMJ-UHFFFAOYSA-N(Nonabromopentachloro-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)copperCopper(2+) 1,4,8,10,11,16,17,24,25-nonabromo-3,9,15,18,22-pentachlorophthalocyanine-6,29-diideCopper, [nonabromopentachloro-29H,31H-phthalocyaninato(2-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-
Database identifiers
- CAS
67939-30-4- PubChem CID
- 172015
- DTXSID
DTXSID20987329- EC Number
- 267-832-6
Properties
Computed structural properties
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,420
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCopper, [C,C,C,C,C,C,C,C,C-nonabromo-C,C,C,C,C-pentachloro-29H,31H-phthalocyaninato(2-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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